(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C15H17BrN2O5 MolecularWeight: 385.20988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NO2)C)OC

InChI

InChI=1S/C15H17BrN2O5/c1-4-5-21-14-11(16)6-10(7-12(14)20-3)15(19)22-8-13-17-9(2)18-23-13/h6-7H,4-5,8H2,1-3H3